N-(3-tert-butyl-4-tetradecoxy-phenyl)-2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide

Systemtic Name: N-(3-tert-butyl-4-tetradecoxy-phenyl)-2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(3-tert-butyl-4-tetradecoxy-phenyl)-2-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(3-tert-butyl-4-tetradecoxyphenyl)-2-[(4-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(3-tert-butyl-4-tetradecoxyphenyl)-2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3-tert-butyl-4-myristyloxy-phenyl)-2-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C36H53BrN2O2S MolecularWeight: 657.78722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC=C3C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC=C3C)C(C)(C)C.[Br-]

InChI

InChI=1S/C36H52N2O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-19-24-40-34-23-22-31(25-33(34)36(3,4)5)37-35(39)32-21-18-17-20-30(32)26-38-28-41-27-29(38)2;/h17-18,20-23,25,27-28H,6-16,19,24,26H2,1-5H3;1H